MMsINC Database Search


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MMsINC code: MMs00659320

Type: Neutral
Formula: C₁₇H₁₅FN₂O₄

SMILES:

Fc1ccccc1C(=O)NCC(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C17H15FN2O4/c1-24-17(23)12-7-3-5-9-14(12)20-15(21)10-19-16(22)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8254 kcal/mol

Physical Properties
Molecular Weight: 330.315 g/mol	logS: -4.20415	SlogP: 1.9808	Reactive groups: 0

Topological Properties
Globularity: 0.0257292	Sterimol/B1: 1.97712	Sterimol/B2: 2.23515	Sterimol/B3: 4.08633
Sterimol/B4: 8.44868	Sterimol/L: 17.4961

Surface and Volume Properties
Accessible surface: 584.509	Positive charged surface: 357.432	Negative charged surface: 227.077	Volume: 294.625
Hydrophobic surface: 473.208	Hydrophilic surface: 111.301

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.